* LIGAND DATABASE FILE (OPLS2005)
*
001      94    95    167    258     496
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02055    65.61430    74.01210
    3     1 S   H    _H1_     3     1.02162    47.01023  -131.40753
    4     1 S   H    _H2_     4     1.02079   105.35005   -29.98225
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CO4  _C24    36     1.77231   100.57089   -78.11902
   34    33 S   O    _O35    37     1.22689   121.59704   -28.18528
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C22    38     1.53321   115.47057   150.00338
   39    38 S   CT   _C19    39     1.53525   109.58311  -178.12372
   40    38 S   CT   _C23    89     1.52956   110.46208    60.86781
   41    40 S   HC   _H21    90     1.09514   111.97832  -180.00000
   42    40 S   HC   _H22    91     1.09626   111.02261   -58.52378
   43    40 S   HC   _H23    92     1.09686   110.64086    59.58405
   44    38 S   OH   _O36    93     1.41868   111.18343   -58.84237
   45    44 S   HO   _H24    94     0.97188   106.92356    60.01865
   46    39 S   CT   _C20    40     1.54751   112.39082   179.98022
   47    46 S   HC   _H18    41     1.10989   110.23338  -175.09120
   48    46 S   HC   _H19    42     1.11059   110.40982    70.55139
   49    39 S   CT   _C18    73     1.55255   113.25227    50.07828
   50    49 S   HC   _H16    74     1.08690   108.36474   -77.46255
   51    49 S   HC   _H17    75     1.08317   109.49626   166.45618
   52    39 S   SZ   _S2_    86     1.89951   106.80382   -65.48331
   53    52 S   OZ   _O37    87     1.55034   105.02610    80.49040
   54    52 S   S    _S3_    88     2.04419    99.71286  -175.48694
   55    46 S   C    _C21    43     1.52010   116.89632   -53.27782
   56    55 S   O    _O34    44     1.22941   121.03215    83.98020
   57    55 S   N    _N5_    45     1.38451   113.19669   -98.02406
   58    57 S   H    _H20    46     1.03362   118.01140     6.94342
   59    57 S   CT   _C5_    47     1.46453   125.79408  -169.63175
   60    59 S   HC   _H3_    48     1.15700   104.84334   177.57408
   61    59 S   CRA  _C6_    49     1.50865   111.78386   -66.55424
   62    59 S   CT   _C4_    82     1.52680   111.75369    64.70287
   63    62 S   HC   _H5_    83     1.08925   109.87208   -67.05832
   64    62 S   HC   _H6_    84     1.08830   109.90542   172.92435
   65    62 S   HC   _H7_    85     1.08944   109.83707    52.88621
   66    61 S   N5B  _N4_    50     1.31927   122.78584   -82.56250
   67    66 S   C5B  _C7_    51     1.38099   110.59473  -176.39087
   68    67 S   C5A  _C8_    52     1.37942   115.00869    -0.82234
   69    68 S   HA   _H8_    53     1.08599   128.65199  -178.90461
   70    67 S   CM   _C9_    55     1.43130   122.12339   179.34628
   71    70 S   HC   _H9_    56     1.10416   114.18637  -172.38831
   72    61 S   SA   _S1_    54     1.72542   122.66560    99.96969
   73    70 S   CM   _C10    57     1.34394   130.26731     9.13368
   74    73 S   HC   _H10    58     1.08205   117.80761   176.83535
   75    73 S   CM   _C11    59     1.44533   128.04730    -2.15450
   76    75 S   HC   _H11    60     1.07594   115.20321   -13.94110
   77    75 S   CM   _C12    61     1.33985   122.85380   159.32662
   78    77 S   HC   _H12    62     1.11176   119.89118     1.33838
   79    77 S   CO4  _C13    63     1.49379   124.09783  -174.91046
   80    79 S   O    _O33    64     1.23373   117.89251  -170.36418
   81    79 S   CT   _C14    65     1.53390   120.99901     9.37564
   82    81 S   HC   _H4_    66     1.13839   108.96233   -72.68683
   83    81 S   CM   _C15    67     1.50140   114.04974    51.65122
   84    83 S   HC   _H13    68     1.10225   114.04881  -129.27698
   85    81 S   OH   _O38    80     1.41773   110.49118   174.45765
   86    85 S   HO   _H28    81     0.97099   106.71502    54.14896
   87    83 S   CM   _C16    69     1.34795   129.39944    53.08026
   88    87 S   CT   _C17    70     1.51572   119.38813  -172.88732
   89    88 S   HC   _H14    71     1.07715   111.65577    28.56538
   90    88 S   HC   _H15    72     1.08450   106.90593   144.91810
   91    87 S   CT   _C25    76     1.50085   124.87002     5.00179
   92    91 S   HC   _H25    77     1.08567   109.32498    89.95864
   93    91 S   HC   _H26    78     1.08727   109.30742   -30.27925
   94    91 S   HC   _H27    79     1.08629   109.26509  -149.86015
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   6   5   4   3
  12   4   2   1   1  18  22   8   3   2   1   4   1  14   6   5
  12   6   5   4   1   1   7   3  10   4  10   7  10   5   2   1
   1   7   8   5   2   7   3   1   6   3   6   3   7   3   8   4
   8   5  11   4   2   1   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    46    49    52    40    41    42    43    44    45  
   38    39    40    44  
   36    37  
   37  
    0  
   39    46    47    48    55    88    49    50    51    52    53    54    40    41    42    43    44    45  
   46    47    48    55    56    57    87    88    89    90    49    50    51    52    53    54    40    41    42    43    44    45  
   41    42    43    44    45    46    49    52  
   42    43    44  
   43    44  
   44  
   45    46    49    52  
    0  
   47    48    55    56    57    58    59    88    49    50    51    52    53    54  
   48    55    56    57    49    52  
   55    56    57    49    52  
   50    51    91    52    53    54    55    83    87    88    89    90  
   51    52    87    88    89    90  
   52    87    88    89    90  
   53    54    55    88  
   54  
    0  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59    60    61    66    72    62    63    64    65  
   59    60    61    62  
   60    61    66    67    68    72    62    63    64    65  
   61    66    72    62    63    64    65  
   66    67    68    69    72    70    62    63    64    65  
   63    64    65    66    72  
   64    65  
   65  
    0  
   67    68    69    72    70    71    73  
   68    69    72    70    71    73    74    75  
   69    72    70    71    73  
   72    70  
   71    73    74    75    76    77    72  
   73    74    75  
    0  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80    81  
   77    78    79  
   78    79    80    81    82    83    85  
   79    80    81  
   80    81    82    83    84    87    85    86  
   81    82    83    85  
   82    83    84    87    88    91    85    86  
   83    84    87    85    86  
   84    87    88    89    90    91    92    93    94    85    86  
   87    88    91    85  
   86    87  
    0  
   88    89    90    91    92    93    94  
   89    90    91    92    93    94  
   90    91  
   91  
   92    93    94  
   93    94  
   94  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.5000   0.0660   0.000900   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5600   0.3950   0.104800   2.0080   1.7800   0.025682759  -1.666211680
   53   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   54   3.6000   0.3550  -0.645700   2.0300   1.8000   0.025682759  -1.666211680
   55   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   57   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.5000   0.0660   0.255000   2.4950   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0700   0.185900   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   67   3.5500   0.0700   0.284300   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   210.000  1.799
   33    34   570.000  1.229
   33    38   317.000  1.522
   38    39   268.000  1.529
   38    40   268.000  1.529
   38    44   320.000  1.410
   39    46   268.000  1.529
   39    49   268.000  1.529
   39    52   340.000  1.853
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    55   317.000  1.522
   55    56   570.000  1.229
   55    57   490.000  1.335
   57    58   434.000  1.010
   57    59   337.000  1.449
   59    60   340.000  1.090
   59    61   295.000  1.488
   59    62   268.000  1.529
   61    66   488.000  1.335
   61    72   250.000  1.765
   66    67   410.000  1.394
   67    68   520.000  1.370
   67    70   320.000  1.460
   68    69   367.000  1.080
   68    72   265.000  1.745
   70    71   340.000  1.080
   70    73   549.000  1.340
   73    74   340.000  1.080
   73    75   380.000  1.444
   75    76   340.000  1.080
   75    77   549.000  1.340
   77    78   340.000  1.080
   77    79   320.000  1.462
   79    80   570.000  1.229
   79    81   317.000  1.522
   81    82   340.000  1.090
   81    83   317.000  1.510
   81    85   320.000  1.410
   83    84   340.000  1.080
   83    87   549.000  1.340
   87    88   317.000  1.510
   87    91   317.000  1.510
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   85    86   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   52    53   700.000  1.530
   52    54   165.000  2.085
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    90.00000   96.72000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.30200
   29    33    38    70.00000  114.16300
   33    38    39    63.00000  111.10000
   33    38    40    63.00000  111.10000
   33    38    44    90.00000  109.61100
   38    33    34    80.00000  120.40000
   38    39    46    58.35000  112.70000
   38    39    49    58.35000  112.70000
   38    39    52    75.00000  107.60000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    43    37.50000  110.70000
   38    44    45    55.00000  108.50000
   39    46    47    37.50000  110.70000
   39    46    48    37.50000  110.70000
   39    46    55    63.00000  111.10000
   39    49    88    58.35000  112.70000
   39    49    50    37.50000  110.70000
   39    49    51    37.50000  110.70000
   39    52    53    74.00000  107.00000
   39    52    54   100.00000   99.78200
   46    55    56    80.00000  120.40000
   46    55    57    70.00000  116.60000
   48    46    47    33.00000  107.80000
   55    46    47    35.00000  109.50000
   55    46    48    35.00000  109.50000
   55    57    58    35.00000  119.80000
   55    57    59    50.00000  121.90000
   57    55    56    80.00000  122.90000
   57    59    60    35.00000  109.50000
   57    59    61    75.00000  107.65000
   57    59    62    70.00000  110.72300
   59    57    58    38.00000  118.40000
   59    61    66    65.00000  125.57700
   59    61    72    65.00000  125.49400
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    37.50000  110.70000
   61    59    60    45.00000  109.19200
   61    66    67    70.00000  110.00000
   61    72    68   120.00000   89.04400
   66    67    68    70.00000  111.00000
   66    67    70    70.00000  118.40000
   67    68    69    35.00000  130.70000
   67    68    72    80.00000  111.29200
   67    70    71    40.00000  117.26300
   67    70    73    60.00000  123.20500
   72    61    66    80.00000  114.57700
   72    68    69    40.00000  122.38200
   70    67    68    60.00000  120.93500
   70    73    74    35.00000  120.00000
   70    73    75    70.00000  123.01800
   73    70    71    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    70.00000  123.01800
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    65.00000  118.96000
   77    75    76    35.00000  120.00000
   77    79    80    80.00000  123.72100
   77    79    81    65.00000  118.62400
   79    77    78    40.00000  117.72500
   79    81    82    35.00000  109.50000
   79    81    83    70.00000  109.06800
   79    81    85    90.00000  109.61100
   81    79    80    80.00000  120.40000
   81    83    84    35.00000  117.00000
   81    83    87    70.00000  124.00000
   81    85    86    55.00000  108.50000
   83    81    82    35.00000  109.50000
   83    87    88    70.00000  124.00000
   83    87    91    70.00000  124.00000
   87    83    84    35.00000  120.00000
   87    88    89    35.00000  109.50000
   87    88    90    35.00000  109.50000
   87    88    49    70.00000  112.02700
   87    91    92    35.00000  109.50000
   87    91    93    35.00000  109.50000
   87    91    94    35.00000  109.50000
   88    49    50    37.50000  110.70000
   88    49    51    37.50000  110.70000
   90    88    89    33.00000  107.80000
   49    39    46    58.35000  112.70000
   49    88    89    37.50000  110.70000
   49    88    90    37.50000  110.70000
   51    49    50    33.00000  107.80000
   91    87    88    65.00000  117.92700
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   85    81    82    35.00000  109.50000
   85    81    83    90.00000  110.39200
   62    59    60    37.50000  110.70000
   62    59    61    70.00000  112.56400
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   52    39    46    75.00000  107.60000
   52    39    49    75.00000  107.60000
   54    52    53    95.00000  114.24500
   40    38    39    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
   44    38    39    50.00000  109.50000
   44    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    44   0.00000  1.0 1.0
   33    38    39    46  -0.95700  1.0 1.0
   33    38    39    46  -0.18200 -1.0 2.0
   33    38    39    46   0.29450  1.0 3.0
   33    38    39    49  -0.95700  1.0 1.0
   33    38    39    49  -0.18200 -1.0 2.0
   33    38    39    49   0.29450  1.0 3.0
   33    38    39    52   0.56750  1.0 1.0
   33    38    39    52  -0.07550 -1.0 2.0
   33    38    39    52   0.20000  1.0 3.0
   33    38    40    41  -0.11250  1.0 3.0
   33    38    40    42  -0.11250  1.0 3.0
   33    38    40    43  -0.11250  1.0 3.0
   33    38    44    45   0.91850  1.0 1.0
   33    38    44    45   0.57950  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    40   0.30150 -1.0 2.0
   34    33    38    44   0.30150 -1.0 2.0
   38    39    46    47   0.15000  1.0 3.0
   38    39    46    48   0.15000  1.0 3.0
   38    39    46    55  -0.95700  1.0 1.0
   38    39    46    55  -0.18200 -1.0 2.0
   38    39    46    55   0.29450  1.0 3.0
   38    39    49    88   0.56750  1.0 1.0
   38    39    49    88  -0.07550 -1.0 2.0
   38    39    49    88   0.20000  1.0 3.0
   38    39    49    50   0.15000  1.0 3.0
   38    39    49    51   0.15000  1.0 3.0
   38    39    52    53   0.00000  1.0 1.0
   38    39    52    54   0.00000  1.0 1.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    44    45  -0.11600  1.0 1.0
   39    38    44    45  -0.09450 -1.0 2.0
   39    38    44    45   0.21250  1.0 3.0
   39    46    55    56   0.30150 -1.0 2.0
   39    46    55    57   1.39750  1.0 1.0
   39    46    55    57  -0.07950 -1.0 2.0
   39    46    55    57  -0.18750  1.0 3.0
   46    39    49    88   0.56750  1.0 1.0
   46    39    49    88  -0.07550 -1.0 2.0
   46    39    49    88   0.20000  1.0 3.0
   46    39    49    50   0.15000  1.0 3.0
   46    39    49    51   0.15000  1.0 3.0
   46    39    52    53   0.00000  1.0 1.0
   46    39    52    54   0.00000  1.0 1.0
   46    55    57    58   2.45000 -1.0 2.0
   46    55    57    59   1.49850  1.0 1.0
   46    55    57    59   1.53950 -1.0 2.0
   47    46    55    56   0.00000  1.0 1.0
   47    46    55    57   0.00000  1.0 1.0
   48    46    55    56   0.00000  1.0 1.0
   48    46    55    57   0.00000  1.0 1.0
   55    57    59    60   0.00000  1.0 1.0
   55    57    59    61  -0.69800  1.0 1.0
   55    57    59    61  -0.21350 -1.0 2.0
   55    57    59    62  -0.43950  1.0 1.0
   55    57    59    62  -0.08100 -1.0 2.0
   55    57    59    62   0.03350  1.0 3.0
   56    55    57    58   2.45000 -1.0 2.0
   56    55    57    59   3.04450 -1.0 2.0
   57    59    61    66   0.04300 -1.0 2.0
   57    59    61    72   0.04300 -1.0 2.0
   57    59    62    63   0.15000  1.0 3.0
   57    59    62    64   0.15000  1.0 3.0
   57    59    62    65   0.15000  1.0 3.0
   58    57    59    60   0.00000  1.0 1.0
   58    57    59    61   0.00000  1.0 1.0
   58    57    59    62   0.00000  1.0 1.0
   59    61    66    67   3.62500 -1.0 2.0
   59    61    72    68   3.62500 -1.0 2.0
   60    59    61    66   0.00000  1.0 1.0
   60    59    61    72   0.00000  1.0 1.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   61    59    62    63   0.43200  1.0 3.0
   61    59    62    64   0.43200  1.0 3.0
   61    59    62    65   0.43200  1.0 3.0
   61    66   -67    68   2.40000 -1.0 2.0
   61    66    67    70   3.62500 -1.0 2.0
   66    61   -72    68   3.62500 -1.0 2.0
   66    67    68    69   3.62500 -1.0 2.0
   66    67   -68    72   3.62500 -1.0 2.0
   66    67    70    71   0.54250  1.0 3.0
   66    67    70    73   0.11450  1.0 1.0
   66    67    70    73   1.85100 -1.0 2.0
   66    67    70    73  -0.49050  1.0 3.0
   67    68   -72    61   3.62500 -1.0 2.0
   67    70    73    74   7.00000 -1.0 2.0
   67    70    73    75   7.00000 -1.0 2.0
   68    67    70    71   0.56550  1.0 3.0
   68    67    70    73   0.15800  1.0 1.0
   68    67    70    73   1.85350 -1.0 2.0
   68    67    70    73  -0.48700  1.0 3.0
   69    68    72    61   3.62500 -1.0 2.0
   72    61   -66    67   3.62500 -1.0 2.0
   70    67    68    69   3.62500 -1.0 2.0
   70    67    68    72   3.62500 -1.0 2.0
   70    73    75    76  -0.18600  1.0 3.0
   70    73    75    77   0.28850  1.0 1.0
   70    73    75    77   2.61350 -1.0 2.0
   70    73    75    77   0.78400  1.0 3.0
   71    70    73    74   7.00000 -1.0 2.0
   71    70    73    75   7.00000 -1.0 2.0
   73    75    77    78   7.00000 -1.0 2.0
   73    75    77    79   7.00000 -1.0 2.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77  -0.18600  1.0 3.0
   75    77    79    80   1.00000 -1.0 2.0
   75    77    79    81  -0.33500  1.0 1.0
   75    77    79    81   1.06600 -1.0 2.0
   75    77    79    81  -0.14000  1.0 3.0
   76    75    77    78   7.00000 -1.0 2.0
   76    75    77    79   7.00000 -1.0 2.0
   77    79    81    82   0.00000  1.0 1.0
   77    79    81    83   0.65300  1.0 1.0
   77    79    81    83  -0.03850 -1.0 2.0
   77    79    81    83   0.33900  1.0 3.0
   77    79    81    85   0.65300  1.0 1.0
   77    79    81    85  -0.03850 -1.0 2.0
   77    79    81    85   0.33900  1.0 3.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.04550  1.0 1.0
   78    77    79    81   0.83000 -1.0 2.0
   78    77    79    81  -0.04000  1.0 3.0
   79    81    83    84   0.00000  1.0 1.0
   79    81    83    87  -0.51250  1.0 1.0
   79    81    83    87  -0.88800 -1.0 2.0
   79    81    83    87   0.08850  1.0 3.0
   79    81    85    86   0.91850  1.0 1.0
   79    81    85    86   0.57950  1.0 3.0
   80    79    81    82   0.00000  1.0 1.0
   80    79    81    83   0.30150 -1.0 2.0
   80    79    81    85   0.30150 -1.0 2.0
   81    83    87    88   7.00000 -1.0 2.0
   81    83    87    91   7.00000 -1.0 2.0
   82    81    83    84   0.33100  1.0 3.0
   82    81    83    87   0.00000  1.0 1.0
   82    81    85    86   0.19450  1.0 3.0
   83    81    85    86  -0.07800  1.0 1.0
   83    81    85    86  -0.21500 -1.0 2.0
   83    81    85    86  -0.03150  1.0 3.0
   83    87    88    89   0.00000  1.0 1.0
   83    87    88    90   0.00000  1.0 1.0
   83    87    88    49   0.09850  1.0 1.0
   83    87    88    49   0.15250 -1.0 2.0
   83    87    88    49  -0.50650  1.0 3.0
   83    87    91    92   0.00000  1.0 1.0
   83    87    91    93   0.00000  1.0 1.0
   83    87    91    94   0.00000  1.0 1.0
   84    83    87    88   7.00000 -1.0 2.0
   84    83    87    91   7.00000 -1.0 2.0
   87    88    49    39   0.34400  1.0 1.0
   87    88    49    39   0.09450 -1.0 2.0
   87    88    49    39   0.11100  1.0 3.0
   87    88    49    50   0.15000  1.0 3.0
   87    88    49    51   0.15000  1.0 3.0
   88    87    91    92   0.34800  1.0 3.0
   88    87    91    93   0.34800  1.0 3.0
   88    87    91    94   0.34800  1.0 3.0
   89    88    49    39   0.15000  1.0 3.0
   89    88    49    50   0.15000  1.0 3.0
   89    88    49    51   0.15000  1.0 3.0
   90    88    49    39   0.15000  1.0 3.0
   90    88    49    50   0.15000  1.0 3.0
   90    88    49    51   0.15000  1.0 3.0
   49    39    46    47   0.15000  1.0 3.0
   49    39    46    48   0.15000  1.0 3.0
   49    39    46    55  -0.95700  1.0 1.0
   49    39    46    55  -0.18200 -1.0 2.0
   49    39    46    55   0.29450  1.0 3.0
   49    39    52    53   0.00000  1.0 1.0
   49    39    52    54   0.00000  1.0 1.0
   91    87    88    89   0.34800  1.0 3.0
   91    87    88    90   0.34800  1.0 3.0
   91    87    88    49   0.46850  1.0 1.0
   91    87    88    49   0.08550 -1.0 2.0
   91    87    88    49   0.09800  1.0 3.0
   85    81    83    84   0.00000  1.0 1.0
   85    81    83    87   0.67800  1.0 1.0
   85    81    83    87   0.47050 -1.0 2.0
   85    81    83    87  -0.62500  1.0 3.0
   62    59    61    66   0.29300  1.0 1.0
   62    59    61    66  -1.19700 -1.0 2.0
   62    59    61    66   0.60900  1.0 3.0
   62    59    61    72  -1.00500  1.0 1.0
   62    59    61    72  -0.91300 -1.0 2.0
   62    59    61    72   0.11400  1.0 3.0
   52    39    46    47   0.15000  1.0 3.0
   52    39    46    48   0.15000  1.0 3.0
   52    39    46    55   0.56750  1.0 1.0
   52    39    46    55  -0.07550 -1.0 2.0
   52    39    46    55   0.20000  1.0 3.0
   52    39    49    88   0.56750  1.0 1.0
   52    39    49    88  -0.07550 -1.0 2.0
   52    39    49    88   0.20000  1.0 3.0
   52    39    49    50   0.15000  1.0 3.0
   52    39    49    51   0.15000  1.0 3.0
   40    38    39    46   0.56750  1.0 1.0
   40    38    39    46  -0.07550 -1.0 2.0
   40    38    39    46   0.20000  1.0 3.0
   40    38    39    49   0.56750  1.0 1.0
   40    38    39    49  -0.07550 -1.0 2.0
   40    38    39    49   0.20000  1.0 3.0
   40    38    39    52   0.56750  1.0 1.0
   40    38    39    52  -0.07550 -1.0 2.0
   40    38    39    52   0.20000  1.0 3.0
   40    38    44    45  -0.11600  1.0 1.0
   40    38    44    45  -0.09450 -1.0 2.0
   40    38    44    45   0.21250  1.0 3.0
   44    38    39    46   0.86500  1.0 1.0
   44    38    39    46  -0.17500 -1.0 2.0
   44    38    39    46   0.20800  1.0 3.0
   44    38    39    49   0.86500  1.0 1.0
   44    38    39    49  -0.17500 -1.0 2.0
   44    38    39    49   0.20800  1.0 3.0
   44    38    39    52   0.56750  1.0 1.0
   44    38    39    52  -0.07550 -1.0 2.0
   44    38    39    52   0.20000  1.0 3.0
   44    38    40    41   0.23400  1.0 3.0
   44    38    40    42   0.23400  1.0 3.0
   44    38    40    43   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   29    38    33    34  10.50000 -1.0 2.0
   46    57    55    56  10.50000 -1.0 2.0
   58    55    57    59   1.00000 -1.0 2.0
   66    72    61    59   4.00000 -1.0 2.0
   68    70    67    66   4.00000 -1.0 2.0
   72    69    68    67   1.10000 -1.0 2.0
   67    71    70    73   1.10000 -1.0 2.0
   75    74    73    70   1.10000 -1.0 2.0
   73    76    75    77   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    81    79    80  10.50000 -1.0 2.0
   81    84    83    87   1.10000 -1.0 2.0
   88    91    87    83   1.10000 -1.0 2.0
END
